BioLiP

PDB

BioLiP

PDB CCD ID:

KWB

Number of entries in BioLiP:

Chemical formula:

C13 H15 O3

InChI:

InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)/p-1

InChIKey:

GZEPXNUXMPYSOQ-UHFFFAOYSA-M

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(cc1C([O-])=O)C2CCCCC2
OpenEye OEToolkits 1.7.6	c1cc(c(cc1C2CCCCC2)C(=O)[O-])O
ACDLabs 12.01	[O-]C(=O)c1cc(ccc1O)C2CCCCC2

Name:

5-cyclohexyl-2-hydroxybenzoate

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).